2-Benzothiazoleacetonitrile,4-methyl-(9CI)

Base Information

• Chemical Name: 2-Benzothiazoleacetonitrile,4-methyl-(9CI)
• CAS No.: 157764-01-7
• Molecular Formula: C₁₀H₈N₂S
• Molecular Weight: 188.253
• Mol file: 157764-01-7.mol

Synonyms:2-Benzothiazoleacetonitrile,4-methyl-(9CI)

Chemical Property of 2-Benzothiazoleacetonitrile,4-methyl-(9CI)

Chemical Property:

• Boiling Point: 345.1±25.0 °C(Predicted)
• PKA: 0.65±0.10(Predicted)
• PSA: 64.92000
• Density: 1.265±0.06 g/cm3(Predicted)
• LogP: 2.67078
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

2-(4-Methylbenzo[d]thiazol-2-yl)acetonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Benzothiazoleacetonitrile,4-methyl-(9CI)

There total 2 articles about 2-Benzothiazoleacetonitrile,4-methyl-(9CI) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 12.5%

2-methyl 6-mercapto aniline (76462-17-4) + malononitrile (109-77-3) → 2-(4-methylbenzo[d]thiazol-2-yl)acetonitrile (157764-01-7)

Guidance literature:

With acetic acid; In ethanol; at 90 ℃; for 5h;

Reference yield:

4-methyl-1,3-benzothiazol-2-amine (1477-42-5) → 2-(4-methylbenzo[d]thiazol-2-yl)acetonitrile (157764-01-7)

Guidance literature:

Multi-step reaction with 2 steps

1: water; potassium hydroxide / ethylene glycol / 12 h / 100 °C

2: acetic acid / ethanol / 5 h / 90 °C

With water; acetic acid; potassium hydroxide; In ethanol; ethylene glycol;

upstream raw materials:

2-methyl 6-mercapto aniline

malononitrile

4-methyl-1,3-benzothiazol-2-amine

Refernces